ethyl 2-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]propanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H21N5O3S2 MolecularWeight: 431.53174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)N3C(=NN=C3SC)N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)N3C(=NN=C3SC)N

InChI

InChI=1S/C19H21N5O3S2/c1-4-27-17(26)14-13(12-8-6-5-7-9-12)10-29-16(14)21-15(25)11(2)24-18(20)22-23-19(24)28-3/h5-11H,4H2,1-3H3,(H2,20,22)(H,21,25)